科研之友
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摘要
Using ab initio calculations, we have identified stable group-V dopant-vacancy complexes complexes in ZnO consisting of interstitial dopants surrounded by three V-Zn (D-I-3V(Zn) with D = P, As, or Sb). In contradiction with previous reports, our calculations show that the acceptor level of group-V dopant-vacancy complexes is too deep to be the shallow acceptor level identified experimentally as contributing to p-type conductivity in ZnO. The interstitial-vacancy complexes we have identified can be generalized to other compositions, dopants, and structures.
- 出版日期2012-5-18
